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Information card for entry 7031297
Preview
Coordinates | 7031297.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H27 Cl N2 Pd S |
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Calculated formula | C36 H27 Cl N2 Pd S |
SMILES | [Pd]12(Cl)[S](CC3(N4C=1N(c1ccccc41)C1(C2)c2ccccc2c2ccccc12)c1ccccc1c1ccccc31)C |
Title of publication | Directional properties of fluorenylidene moieties in unsymmetrically substituted N-heterocyclic carbenes. Unexpected CH activation of a methylfluorenyl group with palladium. Use in palladium catalysed Suzuki-Miyaura cross coupling of aryl chlorides. |
Authors of publication | Teci, Matthieu; Brenner, Eric; Matt, Dominique; Gourlaouen, Christophe; Toupet, Loïc |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 32 |
Pages of publication | 12251 - 12262 |
a | 14.5752 ± 0.0003 Å |
b | 19.1704 ± 0.0004 Å |
c | 22.602 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6315.3 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0703 |
Residual factor for significantly intense reflections | 0.0365 |
Weighted residual factors for significantly intense reflections | 0.0916 |
Weighted residual factors for all reflections included in the refinement | 0.1002 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.866 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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